Cas no 54628-24-9 (Quinolinium, 2-formyl-1-methyl-)
54628-24-9 structure
Product Name:Quinolinium, 2-formyl-1-methyl-
CAS No:54628-24-9
MF:C11H10NO
MW:172.203202724457
CID:354064
PubChem ID:14454052
Update Time:2025-04-19
Quinolinium, 2-formyl-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinolinium, 2-formyl-1-methyl-
- 1-methylquinolin-1-ium-2-carbaldehyde
- 2-Formyl-1-methylquinolin-1-ium
- 54628-24-9
- DTXSID60560498
- SCHEMBL1426718
-
- Inchi： 1S/C11H10NO/c1-12-10(8-13)7-6-9-4-2-3-5-11(9)12/h2-8H,1H3/q+1
- InChI Key： HDAPIBMBUOAWPU-UHFFFAOYSA-N
- SMILES： O=CC1=CC=C2C=CC=CC2=[N+]1C
Computed Properties
- Exact Mass: 172.0763
- Monoisotopic Mass: 172.076238942g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 21?2
Experimental Properties
- PSA: 20.95
Quinolinium, 2-formyl-1-methyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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